CodeN2V
NameN-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine
Synonyms
Identifier(2~{S})-2-[[(3~{S},8~{S})-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-[(1~{S})-1-phenylpropyl]-3,6,8,9-tetrahydro-2~{H}-[1,4]dioxino[2,3-g]isoquinolin-8-yl]carbonylamino]-3-[4-(2,3-dimethylpyridin-4-yl)phenyl]propanoic acid
FormulaC50 H47 Cl2 N3 O6
Molecular Weight856.831
SMILESCC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl
PubChem58327143
Formal Charge0
Total Atoms108
Total Chiral Atoms4
Total Bonds115
Total Aromatic Bonds36
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6ORV B1 Peptide Glucagon GLP-1 Homo sapiens - TT-OAD2 Gs/Beta1/Gamma2 3 2020-01-08 10.1038/s41586-019-1902-z

A 2D representation of the interactions of N2V in 6ORV
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:T149 R:R:Y145 8.74 5 No Yes 7 5 2 1
R:R:D198 R:R:Y145 10.34 5 No Yes 7 5 2 1
R:R:L201 R:R:Y145 7.03 5 Yes Yes 7 5 1 1
R:R:K202 R:R:Y145 4.78 5 Yes Yes 4 5 2 1
R:R:Y145 W:W:?1 10.1 5 Yes Yes 5 0 1 0
R:R:Y148 R:R:Y152 15.89 5 Yes Yes 7 7 1 2
R:R:V194 R:R:Y148 8.83 5 No Yes 7 7 1 1
R:R:S392 R:R:Y148 7.63 5 No Yes 9 7 2 1
R:R:Y148 W:W:?1 4.42 5 Yes Yes 7 0 1 0
R:R:D198 R:R:T149 7.23 5 No No 7 7 2 2
R:R:V194 R:R:Y152 16.4 5 No Yes 7 7 1 2
R:R:S392 R:R:Y152 10.17 5 No Yes 9 7 2 2
R:R:V194 W:W:?1 4.01 5 No Yes 7 0 1 0
R:R:K197 R:R:M233 7.2 0 No No 6 6 1 2
R:R:K197 W:W:?1 25.07 0 No Yes 6 0 1 0
R:R:D198 R:R:K202 8.3 5 No Yes 7 4 2 2
R:R:A200 W:W:?1 10.18 0 No Yes 4 0 1 0
R:R:K202 R:R:L201 7.05 5 Yes Yes 4 7 2 1
R:R:L201 R:R:M204 4.24 5 Yes No 7 3 1 1
R:R:L201 R:R:Y205 14.07 5 Yes No 7 3 1 2
R:R:L201 W:W:?1 10.44 5 Yes Yes 7 0 1 0
R:R:K202 R:R:Y205 4.78 5 Yes No 4 3 2 2
R:R:M204 R:R:W203 4.65 5 No Yes 3 3 1 1
R:R:T207 R:R:W203 12.13 0 No Yes 3 3 2 1
R:R:A208 R:R:W203 3.89 0 No Yes 4 3 2 1
R:R:W203 W:W:?1 13.5 5 Yes Yes 3 0 1 0
R:R:M204 W:W:?1 12.95 5 No Yes 3 0 1 0
R:R:L217 W:W:?1 6.71 0 No Yes 4 0 1 0
R:R:S225 R:R:Y220 7.63 0 No Yes 3 3 2 1
R:R:C226 R:R:Y220 9.41 5 No Yes 9 3 2 1
R:R:V229 R:R:Y220 6.31 0 No Yes 7 3 2 1
R:R:W297 R:R:Y220 4.82 5 Yes Yes 8 3 1 1
R:R:Y220 W:W:?1 9.47 5 Yes Yes 3 0 1 0
R:R:Q221 R:R:W297 15.33 0 No Yes 4 8 2 1
R:R:C226 R:R:C296 7.28 5 No No 9 9 2 2
R:R:C226 R:R:W297 5.22 5 No Yes 9 8 2 1
R:R:F230 R:R:Q234 14.05 0 No No 5 7 1 2
R:R:F230 R:R:W284 5.01 0 No Yes 5 8 1 2
R:R:F230 W:W:?1 7.22 0 No Yes 5 0 1 0
R:R:C296 R:R:W297 6.53 5 No Yes 9 8 2 1
R:R:W297 W:W:?1 26.38 5 Yes Yes 8 0 1 0
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength11.70
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell37.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub6.00
Average Interaction Strength11.70
Average Nodes In Shell29.00
Average Hubs In Shell10.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell37.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)